shelxc thaui <<EOF
NAT thau-nat.hkl  
SIRA thau-iod.hkl
CELL 58.036 58.036 151.29 90 90 90
SPAG P41212 
FIND 17
NTRY 10
MIND -1.5 -0.1
EOF
shelxd thaui_fa
shelxe thaui thaui_fa -s0.5 -m20
shelxe thaui thaui_fa -s0.5 -m20 -i
